(4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C30H27N5O — CID 3734527

IUPAC(4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H27N5O/c36-30(34-18-16-33(17-19-34)22-23-10-4-1-5-11-23)26-21-31-35-28(25-14-8-3-9-15-25)20-27(32-29(26)35)24-12-6-2-7-13-24/h1-15,20-21H,16-19,22H2
InChIKeyRKDPBGONEBCZCF-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.02
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

(4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 3734527) has the molecular formula C30H27N5O and a molecular weight of 473.58 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID3734527
Molecular FormulaC30H27N5O
Molecular Weight473.58 g/mol
Exact Mass473.22
IUPAC Name(4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H27N5O/c36-30(34-18-16-33(17-19-34)22-23-10-4-1-5-11-23)26-21-31-35-28(25-14-8-3-9-15-25)20-27(32-29(26)35)24-12-6-2-7-13-24/h1-15,20-21H,16-19,22H2
InChIKeyRKDPBGONEBCZCF-UHFFFAOYSA-N
XLogP5.02
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 3734527) is (4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is O=C(c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is RKDPBGONEBCZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O/c36-30(34-18-16-33(17-19-34)22-23-10-4-1-5-11-23)26-21-31-35-28(25-14-8-3-9-15-25)20-27(32-29(26)35)24-12-6-2-7-13-24/h1-15,20-21H,16-19,22H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 473.58 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 3734527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).